4-methylbenzenesulfonate; 2-(2-methylbenzothiazol-3-yl)ethanol
Molecular Formula:
C
17
H
19
NO
4
S
2
InChI:
InChI=1/C10H12NOS.C7H8O3S/c1-8-11(6-7-12)9-4-2-3-5-10(9)13-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,12H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/fC10H12NOS.C7H7O3S/qm;-1
InChIKey:
InChIKey=DKEYVMWTOLTVGR-NMVWJEHWCO
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2S1)CCO
Names:
4-methylbenzenesulfonate; 2-(2-methylbenzothiazol-3-yl)ethanol
Registries:
PubChem CID 2827565
PubChem ID 8349038